4-[(Ethylphenylamino)methyl]benzenesulfonic acid
Basic information
- CAS
92-60-4- Standard SMILES
CCN(Cc1ccc(S(=O)(=O)O)cc1)c1ccccc1- InChIKey
HSBRAZWXTOKJQF-UHFFFAOYSA-N- Molecular formula
- C15H17NO3S
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.09291458
Names & identifiers
- Preferred name
- 4-[(Ethylphenylamino)methyl]benzenesulfonic acid
- IUPAC
- 4-[(N-ethylanilino)methyl]benzenesulfonic acid
- English name
- 4-((Ethylanilino)methyl)benzenesulphonic acid
- Molecular formula
- C15H17NO3S
- Molecular weight
- 291.37
Names & synonyms
92-60-4Benzenesulfonic acid, 4-[(ethylphenylamino)methyl]-UNII-Z3DU75V1GXZ3DU75V1GXNSC 8644NSC-8644EINECS 202-170-34-((Ethylphenylamino)methyl)benzenesulfonic acidBenzenesulfonic acid, 4-((ethylphenylamino)methyl)-DTXSID8059059alpha-(N-Ethylanilino)-p-toluenesulfonic acid.alpha.-(N-Ethylanilino)-p-toluenesulfonic acid
Show more names
AKOS BB-8163ASISCHEM T31169M-AMINO PROPIONANILIDE3-AMINO-PROPIONANILIDE3'-AMINOPROPIONANILIDEMETA-AMINO PROPIONANILIDEN-(3-AMINOPHENYL)PROPANAMIDEn-ethyl-n-(4'-sulfobenzyl)aniline4-[(N-ethylanilino)methyl]benzenesulfonicaci
4-[(ethylphenylamino)methyl]benzenesulfonic acidRefChem:198537DTXCID0048765202-170-34-((Ethylanilino)methyl)benzenesulphonic acid4-[(N-ethylanilino)methyl]benzenesulfonic acid4-{[ethyl(phenyl)amino]methyl}benzenesulfonic acidp-Toluenesulfonic acid, .alpha.-(N-ethylanilino)-
Database identifiers
- CAS
92-60-4- PubChem CID
- 66712
- DTXSID
DTXSID8059059- UNII
- Z3DU75V1GX
- EC Number
- 202-170-3
- Nikkaji
- J168.591K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Melting point
- 92 · 92-96 °C(lit.)
- Density
- 1.281 · 1.281
- CAS DataBase Reference
- 92 · 92-60-4(CAS DataBase Reference)
- FDA UNII
- 3 DU75V1GX · Z3DU75V1GX
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-[(ethylphenylamino)methyl]- (92-60-4)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-[(ethylphenylamino)methyl]-: INACTIVE
Upstream & downstream products
Downstream products
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Compound notes
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